SCHEMBL4602472

SCHEMBL4602472

CCOc1ccccc1Nc1nc(C)nc2scc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.43
PDE5A O76074 1/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3797440 0.84 HTT (0.54) TP53ALDH1A1KDM4EMAPTTDP1
SCHEMBL4603491 0.76 SOS1 (0.36) ALDH1A1MAPTGAAHPGD
SCHEMBL3796969 0.75 HTT (0.47) MAPTGAAHTTSMN1; SMN2HSD17B10
SCHEMBL3804143 0.75 HTT (0.45) TP53MAPTGAAHTTSMN1; SMN2
SCHEMBL3802155 0.74 HTT (0.44) TP53MAPTGAAHTTSMN1; SMN2
SCHEMBL13434843 0.72 HTT (0.54) TP53ALDH1A1KDM4EMAPTTDP1
SCHEMBL3799077 0.72 PIP4K2C (0.46) HTTSMN1; SMN2KMT2AMEN1
SCHEMBL3799585 0.72 RAB9A (0.47) MAPTGAAHTTSMN1; SMN2HSD17B10
SCHEMBL3796872 0.72 RAB9A (0.47) MAPTGAAHTTSMN1; SMN2HSD17B10
SCHEMBL3805579 0.72 MAPT (0.53) TP53ALDH1A1KDM4EMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed